SCHEMBL5465749

SCHEMBL5465749

CC(C)(CO)CO.O=C(O)c1cccc(C(=O)OC(=O)c2cccc(C(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
FOLH1 Q04609 1/20 0.41
AKR1C3 P42330 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
CYP4F2 P78329 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isophthalic Acid SCHEMBL5558793 0.90 CA12 (0.50) KMT2ARXRARXRBNR4A1NR4A2
Isophthalic Acid SCHEMBL3475846 0.90 CA12 (0.50) KMT2ARXRARXRBNR4A1NR4A2
Isophthalic Acid SCHEMBL3298198 0.90 CA12 (0.50) KMT2ARXRARXRBNR4A1NR4A2
Terephthalic Acid SCHEMBL6690767 0.86 RXRA (0.47) KMT2ARXRARXRBCYP2C9CA12
Isophthalic Acid SCHEMBL8373778 0.86 RXRA (0.47) KMT2ARXRARXRBNR4A1NR4A2
SCHEMBL3298195 0.84 MAPK1 (0.47) KMT2ARXRARXRBNR4A1NR4A2
SCHEMBL5689369 0.84 CA12 (0.56) KMT2ACYP2C9CA12CA1CA2
Isophthalic Acid SCHEMBL20500517 0.84 CA12 (0.56) KMT2ACYP2C9CA12CA1CA2
Isophthalic Acid SCHEMBL5689366 0.84 CA12 (0.56) KMT2ACYP2C9CA12CA1CA2
SCHEMBL27504 0.84 CA12 (0.56) KMT2ACYP2C9CA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070125990-A1 Fire resistant sprayable coating composition SAFAS CORPORATION 2007-06-07 US claimed